| CAS Number | 99255-43-3 |
| Catalog Number | AG00IK91(AGN-PC-0OP38D) |
| Chemical Name | Ethyl 3-(3-aminophenyl)propionate |
| IUPAC Name | ethyl 3-(3-aminophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9;/h3-5,8H,2,6-7,12H2,1H3;1H |
| InChI Key | DDVMTTDXTUGRDD-UHFFFAOYSA-N |
| MDL Number | MFCD21607158 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CCOC(=O)CCC1=CC=CC(N)=C1 |
| Synonyms | ethyl 3-(3-aminophenyl)propanoate hydrochloride,
99255-43-3,
ETHYL 3-(3-AMINOPHENYL)PROPANOATE HCL,
3-Amino-benzenepropanoic acid ethyl ester HCl,
SCHEMBL3021844,
DDVMTTDXTUGRDD-UHFFFAOYSA-N,
ACT03445,
AKOS027322341,
AS-36212,
AB0074560,
AX8254636,
ethyl 3-aminobenzenepropanoate hydrochloride,
ethyl 3-(3-aminophenyl)propionate hydrochloride,
X-1924,
10039-64-2,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number